1-[1-(3-ethyl-3,4-dihydro-2H-pyrrol-5-yl)ethenyl]-4-methylpiperazine

C13H23N3 — CID 129029109

IUPAC1-[1-(3-ethyl-3,4-dihydro-2H-pyrrol-5-yl)ethenyl]-4-methylpiperazine
SMILESC=C(C1=NCC(CC)C1)N1CCN(C)CC1
InChIInChI=1S/C13H23N3/c1-4-12-9-13(14-10-12)11(2)16-7-5-15(3)6-8-16/h12H,2,4-10H2,1,3H3
InChIKeySVYZKKSUNOOUPA-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.62
Rot. Bonds3

About 1-[1-(3-ethyl-3,4-dihydro-2H-pyrrol-5-yl)ethenyl]-4-methylpiperazine

1-[1-(3-ethyl-3,4-dihydro-2H-pyrrol-5-yl)ethenyl]-4-methylpiperazine (PubChem CID 129029109) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-[1-(3-ethyl-3,4-dihydro-2H-pyrrol-5-yl)ethenyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[1-(3-ethyl-3,4-dihydro-2H-pyrrol-5-yl)ethenyl]-4-methylpiperazine
PubChem CID129029109
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-[1-(3-ethyl-3,4-dihydro-2H-pyrrol-5-yl)ethenyl]-4-methylpiperazine
SMILESC=C(C1=NCC(CC)C1)N1CCN(C)CC1
InChIInChI=1S/C13H23N3/c1-4-12-9-13(14-10-12)11(2)16-7-5-15(3)6-8-16/h12H,2,4-10H2,1,3H3
InChIKeySVYZKKSUNOOUPA-UHFFFAOYSA-N
XLogP1.62
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-ethyl-3,4-dihydro-2H-pyrrol-5-yl)ethenyl]-4-methylpiperazine?
The IUPAC name of 1-[1-(3-ethyl-3,4-dihydro-2H-pyrrol-5-yl)ethenyl]-4-methylpiperazine (CID 129029109) is 1-[1-(3-ethyl-3,4-dihydro-2H-pyrrol-5-yl)ethenyl]-4-methylpiperazine.
What is the SMILES notation for 1-[1-(3-ethyl-3,4-dihydro-2H-pyrrol-5-yl)ethenyl]-4-methylpiperazine?
The canonical SMILES for 1-[1-(3-ethyl-3,4-dihydro-2H-pyrrol-5-yl)ethenyl]-4-methylpiperazine is C=C(C1=NCC(CC)C1)N1CCN(C)CC1.
What is the InChIKey of 1-[1-(3-ethyl-3,4-dihydro-2H-pyrrol-5-yl)ethenyl]-4-methylpiperazine?
The InChIKey is SVYZKKSUNOOUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-4-12-9-13(14-10-12)11(2)16-7-5-15(3)6-8-16/h12H,2,4-10H2,1,3H3.
What are the key properties of 1-[1-(3-ethyl-3,4-dihydro-2H-pyrrol-5-yl)ethenyl]-4-methylpiperazine?
1-[1-(3-ethyl-3,4-dihydro-2H-pyrrol-5-yl)ethenyl]-4-methylpiperazine has a molecular weight of 221.35 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-ethyl-3,4-dihydro-2H-pyrrol-5-yl)ethenyl]-4-methylpiperazine is sourced from PubChem (CID 129029109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).